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Information card for entry 7227213
Preview
| Coordinates | 7227213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H26 N2 O2 |
|---|---|
| Calculated formula | C26 H26 N2 O2 |
| SMILES | O=C1N(CCCC)C(=O)c2c3c1ccc(c3ccc2)/C=C/c1ccc(N(C)C)cc1 |
| Title of publication | Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. |
| Authors of publication | Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 1244 - 1256 |
| a | 7.466 ± 0.0013 Å |
| b | 13.752 ± 0.002 Å |
| c | 20.182 ± 0.003 Å |
| α | 82.47 ± 0.004° |
| β | 84.186 ± 0.004° |
| γ | 89.182 ± 0.004° |
| Cell volume | 2043.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227213.cif |
| 191759 | 2017-02-04 | cif/ Updating files of 7227211, 7227212, 7227213 Original log message: Adding full bibliography for 7227211--7227213.cif. |
7227213.cif |
| 188803 | 2016-12-01 | cif/ Adding structures of 7227211, 7227212, 7227213 via cif-deposit CGI script. |
7227213.cif |
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Users of the data should acknowledge the original authors of the
structural data.